CID 3062489

7,8-dimethoxy-5h-imidazo(2,1-c)(1,4)benzodiazepine

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=C(C=C2C(=C1)CN3C=CN=C3C=N2)OC
InChI
InChI=1S/C13H13N3O2/c1-17-11-5-9-8-16-4-3-14-13(16)7-15-10(9)6-12(11)18-2/h3-7H,8H2,1-2H3
InChIKey
AZFXZBBJFCADOP-UHFFFAOYSA-N
Compound name
7,8-dimethoxy-10H-imidazo[2,1-c][1,4]benzodiazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 151.9
[M+Na]+ 266.08999 162.1
[M-H]- 242.09349 155.7
[M+NH4]+ 261.13459 168.8
[M+K]+ 282.06393 162.1
[M+H-H2O]+ 226.09803 143.7
[M+HCOO]- 288.09897 171.6
[M+CH3COO]- 302.11462 164.4
[M+Na-2H]- 264.07544 158.8
[M]+ 243.10022 153.9
[M]- 243.10132 153.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.